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Entry
CA00399                                                            

Classification
Carotenoid Name
2-Hydroxy-β-carotene 5,6-epoxide;
2-Hydroxy-beta-carotene 5,6-epoxide
IUPAC name (2R,5S,6R)-5,6-Epoxy-5,6-dihydro-beta,beta-caroten-2-ol
Formula
C40H56O2
Molecular Weight 
568.848 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
9
Number of
conjugated multiple bonds 
9
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
11.849
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
2
LipinskiFailures
1
Complexity of molecule
0.316
Number of heavy atoms
42
TPSA
(Topological Polar Surface Area) 
32.760 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Trentepohlia iolithus (Ref.51, Ref.53) - Green alga: Trentepohliaceae (Chlorophyta - Trentepohliaceae)
References
  • Ref.51: G. Nybraaten, and S. L. Jensen, Acta Chem. Scand. Ser. B, 28,(1974), 483, "Algal Carotenoids. XI. * New Carotenoid Epoxides from Trentepohlia iolithus".
  • Ref.53: G. Nybraaten, and S. L. Jensen, Acta Chem. Scand. Ser. B, 28,(1974), 485, "Algal Carotenoids. XII. * Chemical Reactions of Carotenoids with 2-Hydroxylated beta-Rings".
  • CAS
    53120-11-9
    Links to other DB
    KNApSAcK: C00022940

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